2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine

C12H8Cl2FNO — CID 116519330

IUPAC2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
SMILESFc1ccccc1OCc1cnc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2FNO/c13-9-5-12(14)16-6-8(9)7-17-11-4-2-1-3-10(11)15/h1-6H,7H2
InChIKeyQSEBSJRGGOPNOM-UHFFFAOYSA-N
MW272.11 g/mol
LogP4.11
Rot. Bonds3

About 2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine

2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine (PubChem CID 116519330) has the molecular formula C12H8Cl2FNO and a molecular weight of 272.11 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
PubChem CID116519330
Molecular FormulaC12H8Cl2FNO
Molecular Weight272.11 g/mol
Exact Mass271.00
IUPAC Name2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
SMILESFc1ccccc1OCc1cnc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2FNO/c13-9-5-12(14)16-6-8(9)7-17-11-4-2-1-3-10(11)15/h1-6H,7H2
InChIKeyQSEBSJRGGOPNOM-UHFFFAOYSA-N
XLogP4.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
CID 116519513
2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
CID 116519429
2-chloro-5-[(2-fluorophenoxy)methyl]pyrazine
CID 103054699
2-chloro-4-[(2-fluorophenyl)methoxy]-5-methylpyridine
CID 83269019
5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline
CID 103044604
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95451026
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
5-bromo-2-[(2-fluorophenoxy)methyl]-1H-imidazole
CID 117187238
4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine
CID 82169669

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine?
The IUPAC name of 2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine (CID 116519330) is 2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine.
What is the SMILES notation for 2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine?
The canonical SMILES for 2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine is Fc1ccccc1OCc1cnc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine?
The InChIKey is QSEBSJRGGOPNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO/c13-9-5-12(14)16-6-8(9)7-17-11-4-2-1-3-10(11)15/h1-6H,7H2.
What are the key properties of 2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine?
2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine has a molecular weight of 272.11 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine is sourced from PubChem (CID 116519330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).